N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide

C13H15Cl2NO2 — CID 61061923

IUPACN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-8-13(17)16(10-3-4-10)7-9-2-5-11(14)12(15)6-9/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyZSTLCXPCXXWFGD-UHFFFAOYSA-N
MW288.17 g/mol
LogP3.13
Rot. Bonds5

About N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide (PubChem CID 61061923) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
PubChem CID61061923
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC NameN-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C13H15Cl2NO2/c1-18-8-13(17)16(10-3-4-10)7-9-2-5-11(14)12(15)6-9/h2,5-6,10H,3-4,7-8H2,1H3
InChIKeyZSTLCXPCXXWFGD-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]propanamide
CID 61061495
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(methylamino)acetamide
CID 54872475
N-cyclopropyl-N-(1H-indol-6-ylmethyl)-2-methoxyacetamide
CID 39378124
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-4-(methylamino)butanamide
CID 60947854
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-piperidin-4-ylacetamide
CID 119740757
[3-[[cyclopropyl-(2-methoxyacetyl)amino]methyl]phenyl] ethanesulfonate
CID 42811412
1-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]cyclobutane-1-carboxamide
CID 81172021
2-(aminomethyl)-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 65227497
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-(5-oxo-1H-1,2,4-triazol-4-yl)acetamide
CID 86802858
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
2-(2-chlorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 78811041
N-cyclopropyl-2-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013693

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide?
The IUPAC name of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide (CID 61061923) is N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide?
The canonical SMILES for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide is COCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide?
The InChIKey is ZSTLCXPCXXWFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-8-13(17)16(10-3-4-10)7-9-2-5-11(14)12(15)6-9/h2,5-6,10H,3-4,7-8H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide?
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide has a molecular weight of 288.17 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]-2-methoxyacetamide is sourced from PubChem (CID 61061923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).